2-[fluoro-(3-methylphenyl)methyl]morpholine

C12H16FNO — CID 142690820

IUPAC2-[fluoro-(3-methylphenyl)methyl]morpholine
SMILESCc1cccc(C(F)C2CNCCO2)c1
InChIInChI=1S/C12H16FNO/c1-9-3-2-4-10(7-9)12(13)11-8-14-5-6-15-11/h2-4,7,11-12,14H,5-6,8H2,1H3
InChIKeyLCBGCRUIJHVCHN-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.99
Rot. Bonds2

About 2-[fluoro-(3-methylphenyl)methyl]morpholine

2-[fluoro-(3-methylphenyl)methyl]morpholine (PubChem CID 142690820) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-[fluoro-(3-methylphenyl)methyl]morpholine.

Molecular Properties

Compound Name2-[fluoro-(3-methylphenyl)methyl]morpholine
PubChem CID142690820
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-[fluoro-(3-methylphenyl)methyl]morpholine
SMILESCc1cccc(C(F)C2CNCCO2)c1
InChIInChI=1S/C12H16FNO/c1-9-3-2-4-10(7-9)12(13)11-8-14-5-6-15-11/h2-4,7,11-12,14H,5-6,8H2,1H3
InChIKeyLCBGCRUIJHVCHN-UHFFFAOYSA-N
XLogP1.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[fluoro-(3-methylphenyl)methyl]morpholine?
The IUPAC name of 2-[fluoro-(3-methylphenyl)methyl]morpholine (CID 142690820) is 2-[fluoro-(3-methylphenyl)methyl]morpholine.
What is the SMILES notation for 2-[fluoro-(3-methylphenyl)methyl]morpholine?
The canonical SMILES for 2-[fluoro-(3-methylphenyl)methyl]morpholine is Cc1cccc(C(F)C2CNCCO2)c1.
What is the InChIKey of 2-[fluoro-(3-methylphenyl)methyl]morpholine?
The InChIKey is LCBGCRUIJHVCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-9-3-2-4-10(7-9)12(13)11-8-14-5-6-15-11/h2-4,7,11-12,14H,5-6,8H2,1H3.
What are the key properties of 2-[fluoro-(3-methylphenyl)methyl]morpholine?
2-[fluoro-(3-methylphenyl)methyl]morpholine has a molecular weight of 209.26 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro-(3-methylphenyl)methyl]morpholine is sourced from PubChem (CID 142690820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).